1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

C105H82F6N34Pd5 — CID 161475870

About 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 161475870) has the molecular formula C105H82F6N34Pd5 and a molecular weight of 2466.14 g/mol. Its IUPAC name is 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

• Compound Name: 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
• PubChem CID: 161475870
• Molecular Formula: C105H82F6N34Pd5
• Molecular Weight: 2466.14 g/mol
• Exact Mass: 2462.25
• IUPAC Name: 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
• SMILES: CC(C)(c1cccc(-n2[c-]ncc2C(F)(F)F)n1)c1cccc(-n2[c-]ncc2C(F)(F)F)n1.Cc1cn(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C)c4)n3)n2)[c-]n1.Cc1cn[c-]n1-c1cccc(C(C)(C)c2cccc(-n3[c-]ncc3C)n2)n1.[C-]#[N+]c1cn(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C#N)c4)n3)n2)[c-]n1.[C-]#[N+]c1cn[c-]n1-c1cccc(C(C)(C)c2cccc(-n3[c-]ncc3C#N)n2)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
• InChI: InChI=1S/C21H14F6N6.2C21H14N8.2C21H20N6.5Pd/c1-19(2,13-5-3-7-17(30-13)32-11-28-9-15(32)20(22,23)24)14-6-4-8-18(31-14)33-12-29-10-16(33)21(25,26)27;1-21(2,16-6-4-8-19(26-16)28-11-15(10-22)24-13-28)17-7-5-9-20(27-17)29-12-18(23-3)25-14-29;1-21(2,16-6-4-8-18(26-16)28-13-24-11-15(28)10-22)17-7-5-9-19(27-17)29-14-25-12-20(29)23-3;1-15-11-26(13-22-15)19-9-5-7-17(24-19)21(3,4)18-8-6-10-20(25-18)27-12-16(2)23-14-27;1-15-11-22-13-26(15)19-9-5-7-17(24-19)21(3,4)18-8-6-10-20(25-18)27-14-23-12-16(27)2;;;;;/h3-10H,1-2H3;2*4-9,11-12H,1-2H3;2*5-12H,1-4H3;;;;;/q5*-2;5*+2
• InChIKey: CGWQUJZXSYTFHH-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 363.40 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2466.14
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

The IUPAC name of 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 161475870) is 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

What is the SMILES notation for 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

The canonical SMILES for 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is CC(C)(c1cccc(-n2[c-]ncc2C(F)(F)F)n1)c1cccc(-n2[c-]ncc2C(F)(F)F)n1.Cc1cn(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C)c4)n3)n2)[c-]n1.Cc1cn[c-]n1-c1cccc(C(C)(C)c2cccc(-n3[c-]ncc3C)n2)n1.[C-]#[N+]c1cn(-c2cccc(C(C)(C)c3cccc(-n4[c-]nc(C#N)c4)n3)n2)[c-]n1.[C-]#[N+]c1cn[c-]n1-c1cccc(C(C)(C)c2cccc(-n3[c-]ncc3C#N)n2)n1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].

What is the InChIKey of 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

The InChIKey is CGWQUJZXSYTFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N6.2C21H14N8.2C21H20N6.5Pd/c1-19(2,13-5-3-7-17(30-13)32-11-28-9-15(32)20(22,23)24)14-6-4-8-18(31-14)33-12-29-10-16(33)21(25,26)27;1-21(2,16-6-4-8-19(26-16)28-11-15(10-22)24-13-28)17-7-5-9-20(27-17)29-12-18(23-3)25-14-29;1-21(2,16-6-4-8-18(26-16)28-13-24-11-15(28)10-22)17-7-5-9-19(27-17)29-14-25-12-20(29)23-3;1-15-11-26(13-22-15)19-9-5-7-17(24-19)21(3,4)18-8-6-10-20(25-18)27-12-16(2)23-14-27;1-15-11-22-13-26(15)19-9-5-7-17(24-19)21(3,4)18-8-6-10-20(25-18)27-14-23-12-16(27)2;;;;;/h3-10H,1-2H3;2*4-9,11-12H,1-2H3;2*5-12H,1-4H3;;;;;/q5*-2;5*+2.

What are the key properties of 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 2466.14 g/mol, XLogP of 17.98, 20 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[2-[6-(4-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;3-[6-[2-[6-(5-isocyano-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-imidazol-2-ide-4-carbonitrile;2-(4-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(4-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(5-methyl-2H-imidazol-2-id-1-yl)-6-[2-[6-(5-methyl-2H-imidazol-2-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;pentakis(palladium(2+));2-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[5-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 161475870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).